Package name: 1,4-dichloro-2-phenylbenzene

Abstract

The topology was generated using MOL2FF v0.111, using the original OPLS-AA force field parameters, which corresponds to the protocol P1 from Beckstein et al. (J Comput Aided Mol Des, 2012, 26, 635-645).

Chemical structure

General view

Detailed view

References

Authors:

Beckstein O, Iorga BI

Title:

Prediction of hydration free energies for aliphatic and aromatic chloro derivatives using molecular dynamics simulations with the OPLS-AA force field.